1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one

C21H30N2O2 — CID 126771040

IUPAC1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C21H30N2O2/c24-21-10-5-13-23(21)18-11-14-22(15-12-18)16-17-6-1-4-9-20(17)25-19-7-2-3-8-19/h1,4,6,9,18-19H,2-3,5,7-8,10-16H2
InChIKeyRSULMXSCMJOOLJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.59
Rot. Bonds5

About 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126771040) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126771040
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(Cc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C21H30N2O2/c24-21-10-5-13-23(21)18-11-14-22(15-12-18)16-17-6-1-4-9-20(17)25-19-7-2-3-8-19/h1,4,6,9,18-19H,2-3,5,7-8,10-16H2
InChIKeyRSULMXSCMJOOLJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]benzoic acid
CID 56876211
1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-2-one
CID 134792490
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 74241962
1-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 122138464
2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042861
1-[(2-cyclopentyloxyphenyl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 131941541
(4R)-8-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207663
5-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56880919
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
CID 86782293
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
1-[1-[2-(2-phenoxyethoxy)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 71933259

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 126771040) is 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(Cc2ccccc2OC2CCCC2)CC1.
What is the InChIKey of 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is RSULMXSCMJOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21-10-5-13-23(21)18-11-14-22(15-12-18)16-17-6-1-4-9-20(17)25-19-7-2-3-8-19/h1,4,6,9,18-19H,2-3,5,7-8,10-16H2.
What are the key properties of 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126771040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).